8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate

C25H48O8Si2 — CID 15265820

IUPAC8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)CC(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C25H48O8Si2/c1-23(2,3)31-19(28)16-17(26)15-18(27)20(32-34(11,12)24(4,5)6)21(22(29)30-10)33-35(13,14)25(7,8)9/h20-21H,15-16H2,1-14H3/t20-,21+/m0/s1
InChIKeyVJKSJTGAZCQBIP-LEWJYISDSA-N
MW532.82 g/mol
LogP5.20
Rot. Bonds11

About 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate

8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate (PubChem CID 15265820) has the molecular formula C25H48O8Si2 and a molecular weight of 532.82 g/mol. Its IUPAC name is 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate.

Molecular Properties

Compound Name8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
PubChem CID15265820
Molecular FormulaC25H48O8Si2
Molecular Weight532.82 g/mol
Exact Mass532.29
IUPAC Name8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)CC(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C25H48O8Si2/c1-23(2,3)31-19(28)16-17(26)15-18(27)20(32-34(11,12)24(4,5)6)21(22(29)30-10)33-35(13,14)25(7,8)9/h20-21H,15-16H2,1-14H3/t20-,21+/m0/s1
InChIKeyVJKSJTGAZCQBIP-LEWJYISDSA-N
XLogP5.20
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.82
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-O-tert-butyl 1-O-propan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 11135482
methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 134959796
8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate
CID 10886253
3-Triethylsilyloxy-oxacyclohexadecane-2,6-dione
CID 21703099
3,3-Bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
CID 54382591
methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 173794841
cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione
CID 11015682
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 11234201
ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate
CID 42611786

Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate?
The IUPAC name of 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate (CID 15265820) is 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate.
What is the SMILES notation for 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate?
The canonical SMILES for 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate is COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)CC(=O)CC(=O)OC(C)(C)C.
What is the InChIKey of 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate?
The InChIKey is VJKSJTGAZCQBIP-LEWJYISDSA-N. The full InChI is InChI=1S/C25H48O8Si2/c1-23(2,3)31-19(28)16-17(26)15-18(27)20(32-34(11,12)24(4,5)6)21(22(29)30-10)33-35(13,14)25(7,8)9/h20-21H,15-16H2,1-14H3/t20-,21+/m0/s1.
What are the key properties of 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate?
8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate has a molecular weight of 532.82 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 1-O-methyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate is sourced from PubChem (CID 15265820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).